==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 28-SEP-07 2VD4 . COMPND 2 MOLECULE: BIFUNCTIONAL PROTEIN GLMU; . SOURCE 2 ORGANISM_SCIENTIFIC: HAEMOPHILUS INFLUENZAE; . AUTHOR I.MOCHALKIN,S.LIGHTLE,L.MCDOWELL . 450 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 22541.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 344 76.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 121 26.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 25 5.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-1), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+0), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+1), SAME NUMBER PER 100 RESIDUES . 46 10.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 52 11.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 63 14.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 1 0 0 2 2 0 1 1 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 15 4 3 1 2 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 1 1 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 1 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 LADDERS PER SHEET . # RESIDUE AA STRUCTURE BP1 BP2 ACC N-H-->O O-->H-N N-H-->O O-->H-N TCO KAPPA ALPHA PHI PSI X-CA Y-CA Z-CA 1 4 A K 0 0 163 0, 0.0 93,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 169.2 85.3 61.1 39.2 2 5 A A - 0 0 41 91,-0.4 93,-2.7 43,-0.0 2,-0.3 -0.107 360.0-152.3 -68.7 167.4 86.2 59.0 36.2 3 6 A L E +a 95 0A 14 41,-0.4 43,-3.5 91,-0.2 44,-0.4 -0.996 14.6 178.6-141.5 140.9 85.2 55.4 35.7 4 7 A S E -a 96 0A 0 91,-2.2 93,-2.0 -2,-0.3 2,-0.3 -0.941 18.1-139.1-134.0 164.1 86.6 52.4 33.9 5 8 A A E -ab 97 48A 0 42,-2.4 44,-3.1 -2,-0.3 2,-0.4 -0.885 5.6-154.5-123.5 149.1 85.3 48.8 33.7 6 9 A V E -ab 98 49A 0 91,-2.7 93,-2.9 -2,-0.3 2,-0.5 -0.998 14.4-163.5-117.7 127.6 86.8 45.3 33.8 7 10 A I E -ab 99 50A 0 42,-2.7 44,-2.7 -2,-0.4 2,-0.7 -0.948 12.3-143.2-115.7 122.8 84.8 42.6 32.1 8 11 A L E +ab 100 51A 20 91,-2.5 93,-2.8 -2,-0.5 94,-0.3 -0.736 41.2 144.4 -87.4 115.5 85.7 39.0 32.8 9 12 A A + 0 0 2 42,-2.3 44,-0.4 -2,-0.7 14,-0.3 0.093 28.1 107.6-144.9 26.7 85.2 37.0 29.6 10 13 A A + 0 0 6 42,-0.3 44,-2.1 43,-0.1 42,-0.1 0.519 47.0 126.1 -90.0 -8.3 87.8 34.3 29.4 11 14 A G - 0 0 16 42,-0.1 11,-1.5 1,-0.1 12,-0.4 -0.140 54.7-146.4 -69.5 147.6 85.7 31.2 30.0 12 15 A K - 0 0 124 9,-0.2 6,-0.2 10,-0.1 -1,-0.1 0.783 26.4-145.4 -72.7 -33.8 85.4 28.1 27.9 13 16 A G > - 0 0 12 8,-0.2 3,-1.9 2,-0.1 5,-0.4 0.963 23.8-180.0 61.5 53.5 81.8 27.5 28.7 14 17 A T G > S+ 0 0 87 1,-0.3 3,-1.8 2,-0.2 4,-0.1 0.846 72.7 58.9 -54.4 -41.0 82.1 23.8 28.6 15 18 A R G 3 S+ 0 0 171 209,-0.3 211,-0.5 1,-0.3 -1,-0.3 0.400 92.1 68.6 -78.5 1.2 78.4 23.1 29.5 16 19 A M G < S- 0 0 4 -3,-1.9 -1,-0.3 209,-0.2 -2,-0.2 0.599 95.4-143.6 -79.8 -19.8 77.3 25.0 26.4 17 20 A Y < + 0 0 172 -3,-1.8 2,-0.3 -4,-0.4 -2,-0.1 0.948 52.0 137.3 50.4 58.1 78.8 22.1 24.3 18 21 A S S S- 0 0 40 -5,-0.4 -1,-0.2 2,-0.2 -2,-0.1 -0.912 70.4-134.0-133.3 153.1 79.9 24.7 21.7 19 22 A D S S+ 0 0 163 -2,-0.3 -1,-0.1 -3,-0.1 -2,-0.0 0.594 91.2 84.4 -76.8 -15.0 82.9 25.6 19.5 20 23 A L S S- 0 0 51 -7,-0.1 -2,-0.2 1,-0.1 -4,-0.1 -0.591 89.5-109.6 -81.9 151.4 82.2 29.2 20.7 21 24 A P > - 0 0 4 0, 0.0 3,-1.5 0, 0.0 4,-0.4 -0.423 41.9 -97.0 -71.8 162.0 83.6 30.5 24.0 22 25 A K G > S+ 0 0 33 -11,-1.5 3,-1.1 1,-0.3 10,-0.2 0.818 116.1 48.3 -52.1 -47.4 81.1 31.2 26.7 23 26 A V G 3 S+ 0 0 2 -12,-0.4 10,-2.0 -14,-0.3 11,-0.3 0.506 95.5 71.5 -85.5 -2.3 80.4 34.9 26.3 24 27 A L G < + 0 0 4 -3,-1.5 -1,-0.2 7,-0.2 -2,-0.2 0.614 69.4 109.3 -85.7 -12.1 79.8 34.9 22.5 25 28 A H S < S- 0 0 6 -3,-1.1 7,-2.5 -4,-0.4 2,-0.2 -0.384 73.3-115.0 -61.0 141.8 76.5 33.1 22.8 26 29 A T E -I 31 0B 73 5,-0.3 2,-0.4 6,-0.1 207,-0.1 -0.513 27.5-170.2 -94.1 149.1 73.7 35.6 22.0 27 30 A I E > S-I 30 0B 0 3,-2.6 3,-1.8 -2,-0.2 203,-0.1 -0.995 89.0 -8.5-123.3 127.3 70.9 37.3 23.8 28 31 A A T 3 S- 0 0 5 -2,-0.4 -1,-0.1 1,-0.3 230,-0.0 0.868 134.7 -51.9 50.4 40.4 68.5 39.2 21.5 29 32 A G T 3 S+ 0 0 54 1,-0.1 -1,-0.3 249,-0.1 231,-0.1 0.422 121.4 90.0 82.0 0.8 70.9 38.7 18.6 30 33 A K E < S-I 27 0B 69 -3,-1.8 -3,-2.6 -5,-0.0 -1,-0.1 -0.979 84.4 -92.4-132.1 146.0 74.1 40.0 20.3 31 34 A P E >> -I 26 0B 21 0, 0.0 4,-1.3 0, 0.0 3,-0.8 -0.151 34.5-120.3 -49.5 142.0 76.8 38.3 22.3 32 35 A M H 3> S+ 0 0 0 -7,-2.5 4,-1.4 1,-0.2 3,-0.4 0.884 115.1 55.1 -49.1 -42.8 76.3 38.3 26.0 33 36 A V H 3> S+ 0 0 0 -10,-2.0 4,-2.6 1,-0.2 -1,-0.2 0.828 100.2 59.3 -66.0 -30.6 79.6 40.2 26.4 34 37 A K H <> S+ 0 0 46 -3,-0.8 4,-2.4 -11,-0.3 -1,-0.2 0.870 101.3 55.2 -65.8 -36.2 78.4 42.9 24.0 35 38 A H H X S+ 0 0 15 -4,-1.3 4,-2.1 -3,-0.4 -1,-0.2 0.941 111.4 44.3 -56.5 -46.2 75.4 43.6 26.4 36 39 A V H X S+ 0 0 0 -4,-1.4 4,-2.4 2,-0.2 -2,-0.2 0.888 111.2 52.3 -70.9 -41.1 77.9 44.2 29.2 37 40 A I H X S+ 0 0 5 -4,-2.6 4,-2.4 2,-0.2 -1,-0.2 0.924 111.4 48.6 -55.5 -45.9 80.3 46.3 27.1 38 41 A D H X S+ 0 0 29 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.908 110.8 49.3 -65.8 -40.1 77.3 48.5 26.1 39 42 A T H X S+ 0 0 19 -4,-2.1 4,-1.6 2,-0.2 -1,-0.2 0.918 110.5 50.8 -64.8 -41.8 76.2 48.9 29.7 40 43 A A H <>S+ 0 0 0 -4,-2.4 5,-1.9 1,-0.2 4,-0.4 0.913 111.2 48.9 -60.7 -42.1 79.7 49.8 30.7 41 44 A H H ><5S+ 0 0 118 -4,-2.4 3,-1.2 1,-0.2 -2,-0.2 0.896 108.8 52.6 -64.4 -41.2 79.8 52.4 27.9 42 45 A Q H 3<5S+ 0 0 113 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.762 102.2 59.5 -68.3 -26.0 76.4 53.9 29.0 43 46 A L T 3<5S- 0 0 26 -4,-1.6 -1,-0.3 -3,-0.2 -2,-0.2 0.628 125.4-103.7 -72.1 -18.0 77.6 54.2 32.6 44 47 A G T < 5 + 0 0 53 -3,-1.2 -41,-0.4 -4,-0.4 -3,-0.2 0.673 54.1 178.3 101.4 24.8 80.3 56.5 31.2 45 48 A S < - 0 0 10 -5,-1.9 -41,-0.3 1,-0.1 -1,-0.2 -0.364 19.0-162.2 -63.2 130.6 83.3 54.1 31.3 46 49 A E S S+ 0 0 118 -43,-3.5 2,-0.3 1,-0.2 -42,-0.2 0.914 79.2 18.1 -78.6 -46.6 86.5 55.7 29.9 47 50 A N - 0 0 58 -44,-0.4 -42,-2.4 2,-0.0 2,-0.4 -0.930 64.8-159.2-121.2 149.3 88.3 52.4 29.4 48 51 A I E -b 5 0A 8 -2,-0.3 21,-3.1 -44,-0.2 2,-0.8 -0.957 10.6-156.6-127.1 112.1 86.8 48.9 29.2 49 52 A H E -bc 6 69A 2 -44,-3.1 -42,-2.7 -2,-0.4 2,-0.8 -0.794 6.7-158.3 -92.5 111.9 89.3 46.1 30.0 50 53 A L E -bc 7 70A 0 19,-2.7 21,-2.5 -2,-0.8 2,-0.8 -0.794 2.2-155.9 -97.2 107.4 88.2 42.9 28.4 51 54 A I E +bc 8 71A 1 -44,-2.7 -42,-2.3 -2,-0.8 2,-0.3 -0.744 29.4 165.2 -81.4 113.3 89.8 39.9 30.1 52 55 A Y E + c 0 72A 19 19,-2.1 21,-3.0 -2,-0.8 -42,-0.3 -0.800 18.5 139.0-129.6 170.9 89.7 37.1 27.4 53 56 A G > + 0 0 20 1,-0.6 3,-1.0 -44,-0.4 -42,-0.1 -0.083 52.1 67.3-168.6 -86.9 91.3 33.7 26.8 54 57 A H T 3 S+ 0 0 75 -44,-2.1 -1,-0.6 1,-0.3 5,-0.1 -0.290 112.8 14.2 -61.3 142.6 89.4 30.7 25.5 55 58 A G T 3> S+ 0 0 31 -3,-0.1 4,-2.4 -35,-0.1 3,-0.3 0.850 81.4 165.8 58.7 36.1 88.2 31.0 21.9 56 59 A G H <> + 0 0 18 -3,-1.0 4,-2.2 1,-0.2 5,-0.2 0.859 68.6 49.2 -50.3 -49.6 90.5 34.0 21.5 57 60 A D H > S+ 0 0 127 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.875 112.6 48.9 -62.1 -38.0 90.4 34.2 17.7 58 61 A L H > S+ 0 0 58 -3,-0.3 4,-2.7 2,-0.2 5,-0.2 0.891 108.3 53.8 -68.7 -39.7 86.6 34.0 17.7 59 62 A M H X S+ 0 0 0 -4,-2.4 4,-1.7 1,-0.2 -2,-0.2 0.943 110.6 47.4 -56.4 -47.5 86.4 36.8 20.4 60 63 A R H < S+ 0 0 114 -4,-2.2 -2,-0.2 2,-0.2 -1,-0.2 0.832 115.3 44.0 -65.8 -35.6 88.6 39.0 18.2 61 64 A T H >< S+ 0 0 80 -4,-1.8 3,-0.8 -5,-0.2 -2,-0.2 0.933 117.6 43.3 -75.6 -45.0 86.6 38.4 15.0 62 65 A H H 3< S+ 0 0 97 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.708 126.7 31.2 -73.3 -22.4 83.1 38.7 16.6 63 66 A L T >< S+ 0 0 2 -4,-1.7 3,-2.1 -5,-0.2 -1,-0.2 -0.005 77.8 130.2-123.4 26.4 84.0 41.8 18.7 64 67 A A T < S+ 0 0 73 -3,-0.8 -2,-0.1 1,-0.3 -1,-0.1 0.823 74.2 47.6 -55.1 -37.1 86.5 43.4 16.3 65 68 A N T 3 S+ 0 0 151 -4,-0.2 -1,-0.3 -3,-0.1 2,-0.3 0.359 83.4 117.3 -88.0 5.7 84.8 46.8 16.5 66 69 A E < - 0 0 38 -3,-2.1 2,-1.8 1,-0.1 -3,-0.1 -0.559 68.3-127.6 -81.4 137.7 84.4 47.1 20.2 67 70 A Q + 0 0 167 -2,-0.3 2,-0.3 2,-0.0 -19,-0.1 -0.608 64.4 125.5 -83.6 78.9 86.2 49.9 22.0 68 71 A V - 0 0 20 -2,-1.8 2,-0.7 -21,-0.1 -19,-0.2 -0.933 66.8-113.7-132.9 156.5 87.9 47.7 24.6 69 72 A N E -c 49 0A 57 -21,-3.1 -19,-2.7 -2,-0.3 2,-0.9 -0.872 35.7-135.2 -87.3 116.1 91.4 47.0 25.9 70 73 A W E -c 50 0A 51 -2,-0.7 2,-0.8 -21,-0.2 -19,-0.2 -0.669 24.5-176.4 -78.8 104.2 92.2 43.4 24.9 71 74 A V E -c 51 0A 12 -21,-2.5 -19,-2.1 -2,-0.9 2,-0.7 -0.858 12.0-155.5-108.5 97.8 93.8 41.7 27.9 72 75 A L E -c 52 0A 95 -2,-0.8 2,-0.5 -21,-0.2 -19,-0.2 -0.657 5.2-159.1 -81.5 111.3 94.7 38.2 26.9 73 76 A Q - 0 0 10 -21,-3.0 3,-0.1 -2,-0.7 9,-0.0 -0.801 7.8-164.1 -92.5 124.3 94.9 35.9 30.0 74 77 A T S S+ 0 0 130 -2,-0.5 2,-0.3 1,-0.2 -1,-0.1 0.757 74.5 22.5 -82.5 -27.0 97.0 32.8 29.5 75 78 A E S S- 0 0 115 3,-0.1 2,-0.8 7,-0.0 -1,-0.2 -0.998 70.2-130.3-143.2 141.6 95.7 30.9 32.5 76 79 A Q + 0 0 106 -2,-0.3 3,-0.1 1,-0.1 -23,-0.0 -0.795 39.0 155.3 -88.5 108.3 92.5 31.1 34.7 77 80 A L - 0 0 59 -2,-0.8 116,-2.6 1,-0.5 -1,-0.1 0.135 65.5 -60.9-120.4 14.2 93.8 31.2 38.3 78 81 A G > - 0 0 11 114,-0.3 4,-1.9 1,-0.1 -1,-0.5 -0.392 58.0 -76.2 122.9 165.7 90.7 32.9 39.8 79 82 A T H > S+ 0 0 41 1,-0.2 4,-2.3 2,-0.2 115,-0.2 0.825 125.6 54.1 -68.2 -32.9 88.8 36.2 39.5 80 83 A A H > S+ 0 0 3 113,-2.4 4,-2.2 2,-0.2 -1,-0.2 0.881 108.4 50.3 -66.6 -39.0 91.4 38.3 41.4 81 84 A H H > S+ 0 0 33 112,-0.9 4,-1.1 2,-0.2 -2,-0.2 0.898 109.9 51.4 -63.5 -40.1 94.1 37.1 39.0 82 85 A A H >X S+ 0 0 7 -4,-1.9 3,-0.7 111,-0.3 4,-0.6 0.938 111.6 45.2 -63.5 -47.0 91.9 38.1 36.1 83 86 A V H >X S+ 0 0 0 -4,-2.3 3,-1.4 1,-0.2 4,-1.0 0.902 107.1 60.2 -64.8 -38.1 91.2 41.6 37.4 84 87 A Q H 3< S+ 0 0 78 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.754 92.0 67.5 -62.6 -25.9 95.0 42.0 38.2 85 88 A Q H << S+ 0 0 61 -4,-1.1 -1,-0.3 -3,-0.7 -2,-0.2 0.822 109.5 36.8 -59.4 -33.1 95.8 41.4 34.5 86 89 A A H X< S+ 0 0 0 -3,-1.4 3,-2.2 -4,-0.6 4,-0.3 0.614 93.1 92.9 -91.1 -17.5 94.1 44.8 33.8 87 90 A A G >< S+ 0 0 7 -4,-1.0 3,-1.7 1,-0.3 -2,-0.1 0.778 72.1 66.2 -56.3 -34.9 95.3 46.5 37.0 88 91 A P G 3 S+ 0 0 99 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.745 103.5 50.7 -57.4 -20.6 98.5 48.1 35.5 89 92 A F G < S+ 0 0 107 -3,-2.2 2,-0.3 2,-0.1 -2,-0.2 0.438 84.4 110.1 -95.8 -4.4 96.1 50.2 33.3 90 93 A F < - 0 0 5 -3,-1.7 2,-0.3 -4,-0.3 6,-0.1 -0.555 68.4-129.5 -72.2 132.6 93.9 51.5 36.2 91 94 A K > - 0 0 90 -2,-0.3 3,-1.3 1,-0.1 83,-0.6 -0.631 18.2-126.3 -74.1 140.4 94.2 55.2 37.0 92 95 A D T 3 S+ 0 0 83 -2,-0.3 83,-1.8 1,-0.3 84,-0.3 0.888 105.9 39.1 -56.1 -41.6 94.8 55.7 40.7 93 96 A N T 3 S+ 0 0 126 81,-0.2 -91,-0.4 80,-0.1 2,-0.3 0.055 96.0 92.9-107.3 26.0 91.9 58.1 41.1 94 97 A E S < S- 0 0 1 -3,-1.3 80,-2.4 -93,-0.1 2,-0.2 -0.842 76.2-115.7-105.8 152.7 89.3 56.6 38.8 95 98 A N E -aD 3 173A 11 -93,-2.7 -91,-2.2 -2,-0.3 2,-0.4 -0.615 26.3-153.2 -77.9 147.4 86.6 54.1 40.0 96 99 A I E -aD 4 172A 0 76,-2.7 76,-1.8 -2,-0.2 2,-0.4 -0.996 4.8-162.0-124.8 128.5 86.8 50.6 38.6 97 100 A V E -aD 5 171A 0 -93,-2.0 -91,-2.7 -2,-0.4 2,-0.5 -0.932 9.8-146.8-110.1 133.4 83.7 48.4 38.2 98 101 A V E +aD 6 170A 0 72,-2.2 72,-0.7 -2,-0.4 2,-0.3 -0.906 24.1 174.0-103.7 124.3 84.1 44.7 37.8 99 102 A L E -a 7 0A 1 -93,-2.9 -91,-2.5 -2,-0.5 2,-0.5 -0.849 28.6-121.5-129.2 158.1 81.5 42.9 35.6 100 103 A Y E > -a 8 0A 44 -2,-0.3 3,-1.7 3,-0.2 -91,-0.1 -0.900 9.0-146.3-108.3 128.1 81.0 39.4 34.3 101 104 A G T 3 S+ 0 0 0 -93,-2.8 -65,-0.2 -2,-0.5 -66,-0.1 0.620 100.3 55.4 -66.2 -17.0 80.7 38.8 30.5 102 105 A D T 3 S+ 0 0 31 -94,-0.3 121,-1.7 1,-0.2 -1,-0.3 0.167 94.2 72.1-100.9 15.7 78.3 35.9 31.1 103 106 A A X + 0 0 13 -3,-1.7 3,-0.9 119,-0.2 -3,-0.2 -0.685 56.8 161.9-127.7 74.7 75.8 38.1 33.1 104 107 A P T 3 + 0 0 5 0, 0.0 -1,-0.1 0, 0.0 -65,-0.1 0.525 58.1 70.7 -78.4 -10.4 74.3 40.4 30.4 105 108 A L T 3 + 0 0 13 116,-0.5 115,-0.1 113,-0.3 114,-0.1 0.477 61.5 127.1 -90.5 -3.8 71.2 41.6 32.2 106 109 A I < - 0 0 8 -3,-0.9 2,-0.2 115,-0.1 114,-0.1 -0.312 56.5-130.3 -55.4 131.7 73.0 43.8 34.8 107 110 A T > - 0 0 17 1,-0.1 4,-2.0 -68,-0.0 5,-0.2 -0.593 12.0-132.2 -94.3 147.0 71.3 47.3 34.5 108 111 A K H > S+ 0 0 68 -2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.871 109.4 56.5 -48.9 -42.4 72.9 50.8 34.2 109 112 A E H > S+ 0 0 112 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.903 106.7 45.7 -66.7 -44.0 70.6 51.9 37.1 110 113 A T H > S+ 0 0 2 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.903 114.5 49.7 -64.0 -40.0 71.7 49.3 39.6 111 114 A L H X S+ 0 0 0 -4,-2.0 4,-2.4 2,-0.2 -2,-0.2 0.804 106.0 55.2 -73.6 -30.9 75.4 50.0 38.7 112 115 A E H X S+ 0 0 89 -4,-2.2 4,-2.5 2,-0.2 -1,-0.2 0.906 110.1 46.8 -64.6 -41.8 74.9 53.8 39.1 113 116 A K H X S+ 0 0 104 -4,-1.7 4,-1.7 2,-0.2 -2,-0.2 0.879 111.2 52.5 -65.5 -38.9 73.6 53.1 42.6 114 117 A L H X S+ 0 0 0 -4,-1.9 4,-0.7 2,-0.2 -2,-0.2 0.943 111.8 44.8 -61.8 -48.5 76.5 50.8 43.3 115 118 A I H >< S+ 0 0 36 -4,-2.4 3,-1.1 1,-0.2 -2,-0.2 0.926 112.5 50.9 -63.5 -46.0 79.0 53.5 42.1 116 119 A E H 3< S+ 0 0 176 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.807 107.1 55.7 -62.3 -30.4 77.3 56.3 44.1 117 120 A A H 3< S+ 0 0 34 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.650 79.0 112.5 -77.2 -17.5 77.3 54.2 47.3 118 121 A K << - 0 0 25 -3,-1.1 6,-0.2 -4,-0.7 2,-0.1 -0.427 62.4-140.0 -65.8 119.7 81.1 53.6 47.2 119 122 A P > - 0 0 20 0, 0.0 3,-2.5 0, 0.0 91,-0.1 -0.432 36.7 -79.4 -75.6 152.1 82.8 55.3 50.2 120 123 A E T 3 S+ 0 0 165 1,-0.3 88,-0.4 -2,-0.1 3,-0.1 -0.262 117.3 0.4 -50.9 132.6 86.1 57.1 49.7 121 124 A N T 3 S+ 0 0 84 1,-0.2 -1,-0.3 86,-0.1 2,-0.1 0.541 122.2 93.4 59.3 13.0 89.0 54.5 49.8 122 125 A G S < S- 0 0 0 -3,-2.5 51,-0.5 85,-0.1 2,-0.4 -0.284 73.1-101.8-116.1-161.0 86.4 51.7 50.2 123 126 A I E -Ef 172 209A 0 85,-2.2 87,-2.5 49,-0.1 2,-0.5 -0.970 8.6-150.2-130.2 140.5 84.3 49.3 48.2 124 127 A A E -Ef 171 210A 0 47,-2.2 47,-2.2 -2,-0.4 2,-0.5 -0.978 23.9-161.9-104.2 123.4 80.7 49.1 47.1 125 128 A L E -Ef 170 211A 0 85,-2.6 87,-2.3 -2,-0.5 2,-0.5 -0.928 13.2-134.4-109.0 129.0 79.6 45.4 46.8 126 129 A L E + f 0 212A 0 43,-2.6 41,-1.7 -2,-0.5 43,-0.4 -0.704 31.4 180.0 -82.0 125.8 76.6 44.3 44.8 127 130 A T E -Ef 166 213A 0 85,-2.7 87,-2.9 -2,-0.5 2,-0.3 -0.722 14.4-153.0-119.9 171.4 74.5 41.8 46.8 128 131 A V E -E 165 0A 9 37,-2.0 37,-2.6 -2,-0.2 2,-0.5 -0.993 15.6-128.2-148.4 138.2 71.3 39.9 46.1 129 132 A N E -E 164 0A 70 85,-0.3 2,-0.4 -2,-0.3 35,-0.2 -0.788 27.8-173.6 -89.5 123.8 68.6 38.5 48.3 130 133 A L - 0 0 29 33,-2.2 -2,-0.0 -2,-0.5 0, 0.0 -0.933 28.4-145.5-116.4 140.9 67.8 34.8 47.7 131 134 A D S S+ 0 0 158 -2,-0.4 -1,-0.1 1,-0.3 -2,-0.0 0.889 106.5 33.0 -70.3 -36.9 64.9 32.8 49.2 132 135 A N S S+ 0 0 113 1,-0.1 -1,-0.3 31,-0.1 31,-0.1 -0.822 70.5 169.5-116.1 91.0 67.3 29.8 49.1 133 136 A P > + 0 0 3 0, 0.0 3,-2.1 0, 0.0 -1,-0.1 0.356 25.6 142.9 -82.2 6.5 70.8 31.2 49.7 134 137 A T T 3 + 0 0 80 1,-0.2 3,-0.1 18,-0.0 -2,-0.1 -0.233 69.3 18.2 -52.7 126.9 72.3 27.7 50.2 135 138 A G T 3 S+ 0 0 50 1,-0.3 -1,-0.2 0, 0.0 2,-0.2 0.168 104.6 105.0 98.1 -14.5 75.8 27.5 48.6 136 139 A Y S < S- 0 0 121 -3,-2.1 2,-0.5 15,-0.1 -1,-0.3 -0.626 79.8 -97.0-105.3 155.0 76.4 31.2 48.4 137 140 A G - 0 0 6 29,-0.3 29,-2.1 -2,-0.2 14,-0.3 -0.601 41.1-134.4 -71.9 117.5 78.5 33.6 50.5 138 141 A R E -GH 150 165A 2 12,-3.0 12,-2.4 -2,-0.5 2,-0.5 -0.541 12.0-126.6 -75.2 137.1 76.4 35.3 53.2 139 142 A I E -G 149 0A 4 25,-2.4 2,-0.6 -2,-0.2 10,-0.2 -0.716 20.1-158.1 -85.1 121.2 76.7 39.1 53.7 140 143 A I E -G 148 0A 25 8,-2.4 7,-2.1 -2,-0.5 8,-1.0 -0.927 9.5-164.3-102.1 117.6 77.5 40.0 57.4 141 144 A R E -G 146 0A 100 -2,-0.6 2,-0.4 5,-0.2 5,-0.2 -0.886 15.4-179.1-102.4 131.6 76.5 43.5 58.2 142 145 A E E > S-G 145 0A 121 3,-2.2 3,-1.1 -2,-0.4 2,-0.3 -0.976 79.6 -28.0-125.0 118.5 77.7 45.4 61.3 143 146 A N T 3 S- 0 0 159 -2,-0.4 -2,-0.0 1,-0.2 0, 0.0 -0.664 125.3 -39.9 65.9-131.3 76.1 48.8 61.3 144 147 A G T 3 S+ 0 0 41 -2,-0.3 67,-0.4 -3,-0.1 2,-0.3 0.034 119.8 94.9-108.0 24.5 75.6 49.6 57.6 145 148 A N E < S-G 142 0A 39 -3,-1.1 -3,-2.2 65,-0.1 2,-0.7 -0.917 76.4-118.8-122.1 145.7 78.9 48.0 56.5 146 149 A V E +G 141 0A 0 63,-2.7 -5,-0.2 -2,-0.3 63,-0.2 -0.695 31.8 171.6 -82.1 113.1 80.0 44.6 55.2 147 150 A V E + 0 0 41 -7,-2.1 2,-0.3 -2,-0.7 -1,-0.2 0.628 63.9 0.2 -96.7 -17.8 82.5 43.1 57.6 148 151 A A E -G 140 0A 34 -8,-1.0 -8,-2.4 2,-0.0 2,-0.5 -0.986 48.3-140.3-163.9 157.7 82.6 39.6 56.1 149 152 A I E -G 139 0A 25 -2,-0.3 2,-0.6 -10,-0.2 -10,-0.2 -0.978 31.1-159.5-119.6 109.5 81.3 37.3 53.4 150 153 A V E -G 138 0A 21 -12,-2.4 -12,-3.0 -2,-0.5 5,-0.1 -0.846 9.6-136.2-101.8 118.0 80.8 33.9 55.0 151 154 A E >> - 0 0 73 -2,-0.6 3,-1.5 -14,-0.3 4,-1.4 -0.245 25.8-105.5 -71.2 156.1 80.8 30.9 52.8 152 155 A Q G >4 S+ 0 0 61 1,-0.3 3,-0.5 2,-0.2 -1,-0.1 0.877 118.0 53.4 -44.3 -51.5 78.2 28.1 53.2 153 156 A K G 34 S+ 0 0 148 1,-0.2 -1,-0.3 -18,-0.1 -2,-0.0 0.648 115.0 40.3 -66.8 -17.6 80.7 25.6 54.7 154 157 A D G <4 S+ 0 0 116 -3,-1.5 -1,-0.2 2,-0.1 -2,-0.2 0.608 88.2 110.7-102.5 -19.1 81.8 28.1 57.4 155 158 A A << - 0 0 16 -4,-1.4 2,-0.1 -3,-0.5 -4,-0.0 -0.283 59.2-136.5 -68.3 142.3 78.5 29.7 58.4 156 159 A N > - 0 0 79 1,-0.0 4,-2.0 0, 0.0 -1,-0.1 -0.274 40.3 -83.2 -82.0 179.1 76.9 29.0 61.8 157 160 A A H > S+ 0 0 80 1,-0.2 4,-0.6 2,-0.2 -2,-0.1 0.887 129.0 42.1 -52.9 -50.7 73.2 28.3 62.3 158 161 A E H >4 S+ 0 0 152 1,-0.2 3,-0.8 2,-0.2 4,-0.2 0.856 112.1 54.8 -68.8 -34.8 72.0 32.0 62.4 159 162 A Q H >4 S+ 0 0 37 1,-0.2 3,-1.6 2,-0.2 -1,-0.2 0.854 98.5 62.8 -68.1 -34.3 74.3 33.0 59.5 160 163 A L H 3< S+ 0 0 56 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.760 97.1 59.0 -61.3 -25.1 72.8 30.3 57.3 161 164 A N T << S+ 0 0 115 -3,-0.8 2,-0.3 -4,-0.6 -1,-0.3 0.519 77.5 112.3 -82.7 -7.7 69.4 32.0 57.5 162 165 A I < - 0 0 45 -3,-1.6 -22,-0.0 -4,-0.2 -32,-0.0 -0.543 49.5-168.1 -64.4 126.6 70.9 35.2 56.0 163 166 A K + 0 0 87 -2,-0.3 -33,-2.2 -31,-0.1 2,-0.4 0.667 59.7 93.6 -91.9 -22.1 69.2 35.7 52.6 164 167 A E E + E 0 129A 20 -35,-0.2 -25,-2.4 -25,-0.2 2,-0.3 -0.619 58.0 177.9 -77.3 124.7 71.6 38.4 51.4 165 168 A V E -HE 138 128A 1 -37,-2.6 -37,-2.0 -2,-0.4 2,-0.2 -0.877 30.8 -96.0-130.1 162.5 74.5 37.0 49.4 166 169 A N E - E 0 127A 25 -29,-2.1 -29,-0.3 -2,-0.3 -39,-0.2 -0.530 22.7-174.0 -77.9 134.8 77.6 38.1 47.4 167 170 A T E - 0 0 35 -41,-1.7 -40,-0.1 2,-0.3 -1,-0.1 0.595 39.4-123.5 -97.7 -18.0 77.5 38.5 43.6 168 171 A G E S+ 0 0 7 -42,-0.4 2,-0.4 1,-0.3 -41,-0.1 0.353 73.5 122.6 86.8 -6.4 81.2 39.3 43.0 169 172 A V E + 0 0 11 -43,-0.4 -43,-2.6 -72,-0.0 -1,-0.3 -0.761 36.8 152.5 -88.0 133.3 80.3 42.6 41.3 170 173 A M E -DE 98 125A 0 -72,-0.7 -72,-2.2 -2,-0.4 2,-0.4 -0.989 35.8-139.7-159.6 161.1 82.0 45.5 43.0 171 174 A V E +DE 97 124A 0 -47,-2.2 -47,-2.2 -2,-0.3 2,-0.3 -0.989 29.9 147.5-129.6 134.0 83.4 49.0 42.6 172 175 A S E -DE 96 123A 0 -76,-1.8 -76,-2.7 -2,-0.4 -49,-0.1 -0.962 49.4 -83.6-152.5 169.1 86.6 50.5 44.1 173 176 A D E > -D 95 0A 7 -51,-0.5 4,-2.2 -2,-0.3 -78,-0.2 -0.388 40.2-114.2 -75.7 157.0 89.2 53.1 43.1 174 177 A G H > S+ 0 0 0 -80,-2.4 4,-2.2 -83,-0.6 -82,-0.2 0.854 113.9 52.0 -60.4 -38.9 92.1 52.0 40.9 175 178 A A H > S+ 0 0 35 -83,-1.8 4,-2.1 -84,-0.2 -1,-0.2 0.903 109.2 50.1 -66.8 -39.8 94.8 52.5 43.6 176 179 A S H > S+ 0 0 3 -84,-0.3 4,-2.7 1,-0.2 5,-0.3 0.908 110.2 51.0 -64.5 -43.4 92.9 50.4 46.1 177 180 A F H X S+ 0 0 0 -4,-2.2 4,-2.5 2,-0.2 5,-0.3 0.926 109.5 50.2 -58.0 -46.2 92.5 47.6 43.5 178 181 A K H X S+ 0 0 70 -4,-2.2 4,-1.0 1,-0.2 -2,-0.2 0.926 115.4 43.3 -60.2 -43.1 96.3 47.7 42.8 179 182 A K H < S+ 0 0 88 -4,-2.1 4,-0.3 2,-0.2 -2,-0.2 0.922 119.5 39.6 -67.1 -50.1 97.1 47.5 46.5 180 183 A W H >< S+ 0 0 0 -4,-2.7 3,-1.4 1,-0.2 4,-0.5 0.867 108.1 59.4 -76.8 -37.3 94.6 44.8 47.5 181 184 A L H >< S+ 0 0 5 -4,-2.5 3,-1.1 -5,-0.3 -1,-0.2 0.876 101.5 57.3 -59.0 -35.3 94.9 42.5 44.5 182 185 A A T 3< S+ 0 0 74 -4,-1.0 -1,-0.3 -5,-0.3 -2,-0.2 0.667 106.6 51.0 -67.3 -16.4 98.6 42.1 45.3 183 186 A R T < S+ 0 0 99 -3,-1.4 2,-0.3 -4,-0.3 -1,-0.2 0.406 81.9 112.1-101.2 -1.6 97.6 40.8 48.7 184 187 A V < - 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